In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 18 | No |
Popular Name: 4-ethyl-2-[methyl-[(3S)-1-methyl-3-piperidyl]amino]thiazole-5-carbaldehyde 4-ethyl-2-[methyl-[(3S)-1-methyl…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.34 | 7.62 | -44.45 | 1 | 4 | 1 | 38 | 268.406 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.34 | 5.24 | -8.74 | 0 | 4 | 0 | 36 | 267.398 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.